Settings#
- pydantic model openfe.protocols.settings.Settings#
Container for all settings needed by a protocol
This represents the minimal surface that all settings objects will have.
Protocols can subclass this to extend this to cater for their additional settings.
Create a new model by parsing and validating input data from keyword arguments.
Raises ValidationError if the input data cannot be parsed to form a valid model.
- field forcefield_settings: BaseForceFieldSettings [Required]#
- field thermo_settings: ThermoSettings [Required]#